SCHEMBL21025968

SCHEMBL21025968

CC(C)(C)c1ccc2nn(CC3CC3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.42
SCN10A Q9Y5Y9 3/20 0.35
CNR2 P34972 2/20 0.35
KCNH2 Q12809 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
IRAK4 Q9NWZ3 3/20 0.34
CRHR2 Q13324 1/20 0.33
F11 P03951 1/20 0.33
KLKB1 P03952 1/20 0.33
KDM1A O60341 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
OPRD1 P41143 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21025762 0.89 CRHR1 (0.42) CRHR1SCN10ACNR2KCNH2PIK3CD
SCHEMBL13432210 0.81 CRHR1 (0.38) CRHR1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL26777099 0.79 SCN10A (0.37) SCN10AKCNH2
SCHEMBL20364209 0.78 PIK3CD (0.42) CRHR1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL3384042 0.78 CRHR1 (0.38) CRHR1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL26482523 0.77 MAPT (0.40) CRHR1CNR2PIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL20359736 0.77 PIK3CD (0.41) CRHR1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL12449554 0.74 ERBB2 (0.45)
SCHEMBL28217862 0.73 CRHR1 (0.50) CRHR1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL14105154 0.73 CRHR1 (0.39) CRHR1PIK3CAIRAK4KLKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 CRHR1 2178/4885SCN10A 2177/4885CNR2 3059/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.